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81654-49-1 | Acetamide, N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoro-
CAS No: 81654-49-1 Catalog No: AG0051CJ MDL No:
Product Description
Catalog Number:
AG0051CJ
Chemical Name:
Acetamide, N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoro-
CAS Number:
81654-49-1
Molecular Formula:
C11H13F3N2O2
Molecular Weight:
262.2283
IUPAC Name:
N-[2-(3-amino-4-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C11H13F3N2O2/c1-18-9-3-2-7(6-8(9)15)4-5-16-10(17)11(12,13)14/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChI Key:
YWJWLNVEAPUKNP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)CCNC(=O)C(F)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.232g/mol
Monoisotopic Mass:
262.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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